SCHEMBL4871337

SCHEMBL4871337

O=C(NCc1ccc(F)cc1Cl)N1CCCOc2cc(F)ccc21

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 13/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
CYP2D6 P10635 1/20 0.44
PKM P14618 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD11B1 P28845 1/20 0.43
TSHR P16473 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4870612 0.89 KCNQ2 (0.43) P2RX7MEN1KMT2ATSHRSMN1; SMN2
SCHEMBL4867343 0.86 MAPT (0.42) MEN1KMT2APKMTSHR
SCHEMBL4866045 0.85 KMT2A (0.50) MEN1KMT2APKMTSHR
SCHEMBL4870624 0.85 DGAT1 (0.46) P2RX7
SCHEMBL4867216 0.82 MAPT (0.43) MEN1KMT2APKMTSHR
SCHEMBL4869580 0.80 MAPT (0.42) PKMTSHRSMN1; SMN2L3MBTL1
SCHEMBL4867190 0.78 P2RX7 (0.45) P2RX7MEN1KMT2ATSHR
SCHEMBL25937553 0.76 KCNQ2 (0.45) TSHR
SCHEMBL25333702 0.74 KCNQ2 (0.47) PKMTSHR
SCHEMBL4867013 0.74 TSHR (0.64) MEN1KMT2APKMTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7368444-B2 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2008-05-06 US disclosed
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient ONO PHARMACEUTICAL CO., LTD. (JP) 2005-05-12 US disclosed
EP-1475368-A1 N-CARBAMOYL NITROGEN-CONTAINING FUSED RING COMPOUNDS AND DRUGS CONTAINING THESE COMPOUNDS AS THE ACTIVE INGREDIENT ONO PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050101600-A1 N-carbamoyl nitrogen-containing fused ring compounds and drugs containing these compounds as the active ingredient CNR1, CNR2, NPSR1 P2RX7 692/4885MEN1 651/4885KMT2A 2577/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.